N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H18N2O4S — CID 79386959

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-13(2,17)8-15(3)20(18,19)10-4-5-11-9(6-10)7-12(16)14-11/h4-6,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyAQPYDMRWPRDWCF-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.57
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 79386959) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID79386959
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-13(2,17)8-15(3)20(18,19)10-4-5-11-9(6-10)7-12(16)14-11/h4-6,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyAQPYDMRWPRDWCF-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 64512887
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
N-cyclopropyl-2-oxo-N-propan-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110872901
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110870137
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
N-cyclopentyl-N-cyclopropyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872943
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 79386959) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is AQPYDMRWPRDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(2,17)8-15(3)20(18,19)10-4-5-11-9(6-10)7-12(16)14-11/h4-6,17H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 79386959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).